| SpectraBase Spectrum ID |
CbQU6HUvrpq |
| Name |
PE-Cer 12:1;2O/18:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide phosphoethanolamine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.458024813 u |
| Formula |
C32H65N2O6P |
| InChI |
InChI=1S/C32H65N2O6P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-32(36)34-30(29-40-41(37,38)39-28-27-33)31(35)25-23-21-19-10-8-6-4-2/h23,25,30-31,35H,3-22,24,26-29,33H2,1-2H3,(H,34,36)(H,37,38)/b25-23+ |
| InChIKey |
LIHXGPBNBNHECF-WJTDDFOZNA-N |
| Ion Polarity |
N |
| Literature Reference |
Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI |
https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion |
[M-H]- |
| SMILES |
CCCCCCCCCCCCCCCCCC(=O)NC(COP(O)(=O)OCCN)C(O)\C=C\CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
